5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde

C17H18ClNO2 — CID 87737077

IUPAC5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
SMILESCN(C)CCOc1ccc(-c2ccccc2Cl)cc1C=O
InChIInChI=1S/C17H18ClNO2/c1-19(2)9-10-21-17-8-7-13(11-14(17)12-20)15-5-3-4-6-16(15)18/h3-8,11-12H,9-10H2,1-2H3
InChIKeyIJPZALHVQNDMAI-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.76
Rot. Bonds6

About 5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde

5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde (PubChem CID 87737077) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
PubChem CID87737077
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
SMILESCN(C)CCOc1ccc(-c2ccccc2Cl)cc1C=O
InChIInChI=1S/C17H18ClNO2/c1-19(2)9-10-21-17-8-7-13(11-14(17)12-20)15-5-3-4-6-16(15)18/h3-8,11-12H,9-10H2,1-2H3
InChIKeyIJPZALHVQNDMAI-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde?
The IUPAC name of 5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde (CID 87737077) is 5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde?
The canonical SMILES for 5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde is CN(C)CCOc1ccc(-c2ccccc2Cl)cc1C=O.
What is the InChIKey of 5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde?
The InChIKey is IJPZALHVQNDMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-19(2)9-10-21-17-8-7-13(11-14(17)12-20)15-5-3-4-6-16(15)18/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde?
5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde has a molecular weight of 303.79 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde is sourced from PubChem (CID 87737077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).